4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-hexyl-cyclohexanecarbonitrile Formula: C29H41NO MolecularWeight: 419.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

InChI

InChI=1S/C29H41NO/c1-3-5-7-11-18-28(24-30)19-16-27(17-20-28)29(31-23-6-4-2)21-14-26(15-22-29)25-12-9-8-10-13-25/h8-10,12-15,21-22,26-27H,3-7,11,16-20,23H2,1-2H3